methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate

C12H19F3O3Si — CID 102102691

IUPACmethyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CC1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3O3Si/c1-6-7-10(9(16)17-2)8-11(10,12(13,14)15)18-19(3,4)5/h6H,1,7-8H2,2-5H3
InChIKeyZXKSZNRCLCRSPN-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.28
Rot. Bonds5

About methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate

methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 102102691) has the molecular formula C12H19F3O3Si and a molecular weight of 296.36 g/mol. Its IUPAC name is methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID102102691
Molecular FormulaC12H19F3O3Si
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Namemethyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CC1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3O3Si/c1-6-7-10(9(16)17-2)8-11(10,12(13,14)15)18-19(3,4)5/h6H,1,7-8H2,2-5H3
InChIKeyZXKSZNRCLCRSPN-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 102102691) is methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate is C=CCC1(C(=O)OC)CC1(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is ZXKSZNRCLCRSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O3Si/c1-6-7-10(9(16)17-2)8-11(10,12(13,14)15)18-19(3,4)5/h6H,1,7-8H2,2-5H3.
What are the key properties of methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 296.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 102102691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).